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CAS 1246401-51-3 Oxazole, 2,2′-(1-ethylpropylidene)bis[4,5-dihydro-4,5-diphenyl-, (4R,4’R,5S,5’S)- molecular structure lightbox
CAS RN: 1246401-51-3

Oxazole, 2,2′-(1-ethylpropylidene)bis[4,5-dihydro-4,5-diphenyl-, (4R,4’R,5S,5’S)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250304 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-028649
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1246401-51-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1246401-51-3 / (4R,5S)-2-[3-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]pentan-3-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole

Standard CAS: 1246401-51-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1246401-51-3
Multi CAS
No
Molecular Formula
C35H34N2O2
Molecular Weight
514.700000
Exact Mass
514.262028
SMILES
CCC(CC)(C1=N[C@@H]([C@@H](O1)C2=CC=CC=C2)C3=CC=CC=C3)C4=N[C@@H]([C@@H](O4)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C35H34N2O2/c1-3-35(4-2,33-36-29(25-17-9-5-10-18-25)31(38-33)27-21-13-7-14-22-27)34-37-30(26-19-11-6-12-20-26)32(39-34)28-23-15-8-16-24-28/h5-24,29-32H,3-4H2,1-2H3/t29-,30-,31+,32+/m1/s1
InChIKey
XXPKGELVQQVIOF-ZRTHHSRSSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
24
Fraction Csp3
0.26
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
156.79
TPSA
43.18

LogP / Solubility

WLOGP
8.62
MLOGP
7.62
XLogP3
7.6
Consensus LogP
7.95
Log S (ESOL)
-8.39
Class (ESOL)
Insoluble
Log S (Ali)
-10
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.12
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.26

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5

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